[4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C19H21FN2O4S/c1-2-21-19(23)22(16-7-8-16)13-14-3-9-17(10-4-14)26-27(24,25)18-11-5-15(20)6-12-18/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,21,23)